methyl 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate CAS Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)OC

InChI

InChI=1S/C18H20N2O2S/c1-12-6-5-7-13(10-12)17-19-15-9-4-3-8-14(15)18(20-17)23-11-16(21)22-2/h5-7,10H,3-4,8-9,11H2,1-2H3